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A precise prediction of structure stability and hydrogen storage capability of KCdH3 perovskite hydride using density functional theory calculations

Materials ScienceEngineeringHydrogen TransitionNatural SciencesKcdh3 Perovskite HydrideHalide PerovskitesComputational ChemistryPrecise PredictionQuantum ChemistryHydrogenChemistryLead-free PerovskitesPerovskite ModuleStructure Stability